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Home > Nitro Compounds > 30513-99-6
30513-99-6 | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-methyl-5-(3-nitrophenyl)-
CAS No: 30513-99-6 Catalog No: AG0030EY MDL No:
Product Description
Catalog Number:
AG0030EY
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-methyl-5-(3-nitrophenyl)-
CAS Number:
30513-99-6
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
7-methyl-5-(3-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C16H13N3O3/c1-10-5-6-14-13(7-10)16(17-9-15(20)18-14)11-3-2-4-12(8-11)19(21)22/h2-8H,9H2,1H3,(H,18,20)
InChI Key:
FIOPRGQJIKEMID-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)ccc(c2)C)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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